2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)-N-ethyl-N-phenylacetamide

C22H19N3O3S — CID 46923905

IUPAC2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)c1ccccc1
InChIInChI=1S/C22H19N3O3S/c1-2-23(16-9-5-3-6-10-16)19(26)15-24-18-13-14-29-20(18)21(27)25(22(24)28)17-11-7-4-8-12-17/h3-14H,2,15H2,1H3
InChIKeyIJDPDUSROVXPFC-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.27
Rot. Bonds5

About 2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)-N-ethyl-N-phenylacetamide

2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)-N-ethyl-N-phenylacetamide (PubChem CID 46923905) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)-N-ethyl-N-phenylacetamide
PubChem CID46923905
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)c1ccccc1
InChIInChI=1S/C22H19N3O3S/c1-2-23(16-9-5-3-6-10-16)19(26)15-24-18-13-14-29-20(18)21(27)25(22(24)28)17-11-7-4-8-12-17/h3-14H,2,15H2,1H3
InChIKeyIJDPDUSROVXPFC-UHFFFAOYSA-N
XLogP3.27
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-N-ethyl-2-[3-(4-fluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 15992319
benzyl 2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetate
CID 22423569
N-ethyl-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide
CID 46922670
benzyl 2-[3-(4-ethoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetate
CID 22427960
N-cyclopentyl-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide
CID 6619388
N-(2,3-dimethylphenyl)-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide
CID 46923955
2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-methyl-N-phenylacetamide
CID 5228473
N-ethyl-2-[3-(3-methoxypropyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide
CID 6486324
2-[3-(4-ethoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide
CID 15999929
N-(2,5-dimethylphenyl)-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide
CID 46923940
1-benzyl-3-(4-chlorophenyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 53331622
3-(4-chlorophenyl)-1-ethylthieno[3,2-d]pyrimidine-2,4-dione
CID 53331620

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)-N-ethyl-N-phenylacetamide (CID 46923905) is 2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)-N-ethyl-N-phenylacetamide is CCN(C(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)c1ccccc1.
What is the InChIKey of 2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)-N-ethyl-N-phenylacetamide?
The InChIKey is IJDPDUSROVXPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-2-23(16-9-5-3-6-10-16)19(26)15-24-18-13-14-29-20(18)21(27)25(22(24)28)17-11-7-4-8-12-17/h3-14H,2,15H2,1H3.
What are the key properties of 2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)-N-ethyl-N-phenylacetamide?
2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)-N-ethyl-N-phenylacetamide has a molecular weight of 405.48 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 46923905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).